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Total posts by Didier Rognan: 9

publication · 8 months ago
Ranking docking poses by graph matching of protein–ligand interactions: lessons learned from the D3R Grand Challenge 2
by Guillaume Bret, Didier Rognan, Priscila da Silva Figueiredo Celestino Gomes, Franck Da Silva (Universidade Federal do Rio de Janeiro, Centre National pour la Recherche Scientifique (CNRS), University of Strasbourg)
publication · 6 years ago
Identification of Nonpeptide Oxytocin Receptor Ligands by Receptor-Ligand Fingerprint Similarity Search
by Didier Rognan, Nathanael Weill, Christel Valencia, Sophie Gioria, Pascal Villa, Marcel Hibert (Université de Strasbourg)
publication · 6 years ago
Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)
by Esther Kellenberger, Didier Rognan, Javier Garcia-Perez, Patricia Rueda, Jose Alcami, Fernando Arenzana-Seisdedos, Bernard Lagane (Université de Strasbourg, Institut Pasteur, Insituto de Salud Carlos, Institut National de la Santé et de la Recherche Médicale (INSERM))
publication · 7 years ago
Enhancing the Accuracy of Chemogenomic Models with a Three-Dimensional Binding Site Kernel
by Didier Rognan, Jamel Meslamani (Université de Strasbourg)
publication · 7 years ago
Assessing the Scaffold Diversity of Screening Libraries
by Mireille Krier, Guillaume Bret, Didier Rognan (Institut Gilbert Laustriat)
publication · 7 years ago
Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems
by Nicolas Foata, Esther Kellenberger, Didier Rognan (Université de Strasbourg)
publication · 8 years ago
Development and Validation of a Novel Protein? Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands
by Didier Rognan, Nathanael Weill (Université de Strasbourg)
publication · 8 years ago
Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores
by Didier Rognan, Gilles Marcou, Caterina Barillari (Université de Strasbourg)
presentation · 13 years ago
Development of High-Content Molecular Libraries for Filling the Gap between Target and Ligand Chemical Spaces
by Mireille Krier, Guillaume Bret, Nicolas Foata, Esther Kellenberger, Pascal Muller, Claire Schalon, Jean-Sébastien Surg, Didier Rognan (Université Louis Pasteur)